ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009199
RECORD_TITLE: TRANS-3-DECENOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-3-DECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCC=CCC(O)=O
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7+
CH$LINK: INCHIKEY CPVUNKGURQKKKX-BQYQJAHWSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9100000000-da4cb32c01c3c46f868c
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  14 1.22 12
  15 2.03 20
  26 2.48 25
  27 31.99 320
  28 3.1 31
  29 47.14 471
  30 1.32 13
  31 2.68 27
  39 28.01 280
  40 5.6 56
  41 86.18 862
  42 30.67 307
  43 99.99 999
  44 3.86 39
  45 17.59 176
  50 1.68 17
  51 2.74 27
  52 1.78 18
  53 14.18 142
  54 34.83 348
  55 89.53 895
  56 38.67 387
  57 22.7 227
  58 7.92 79
  59 4.15 42
  60 12.56 126
  61 1.97 20
  65 2.92 29
  66 3.28 33
  67 23.97 240
  68 24.24 242
  69 44.8 448
  70 19.86 199
  71 16.3 163
  73 12.37 124
  74 1.46 15
  77 2.41 24
  79 4.36 44
  80 1.58 16
  81 21.56 216
  82 14.08 141
  83 13.82 138
  84 29.12 291
  85 5.35 54
  86 2.58 26
  87 10.51 105
  88 1.27 13
  94 1.91 19
  95 9.95 100
  96 13.9 139
  97 9.42 94
  98 5.16 52
  99 5.8 58
  100 16.27 163
  101 9.78 98
  108 6.77 68
  109 5.37 54
  110 27.35 274
  111 8.72 87
  112 1.04 10
  113 3.74 37
  114 7.79 78
  115 2.41 24
  123 9.42 94
  124 3.64 36
  127 3.33 33
  134 2.85 29
  152 12.71 127
  153 1.87 19
  170 2.63 26
//